Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-101666
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Sc', 'Fe']
  • Chemical System: Fe-Sc-Zr
  • Density: 7.1323851391200295
  • Atomic Density: 0.07167466535116358
  • Unit Cell Volume: 83.711587219885
  • Molar Volume: 8.40204935801941
  • Full Formula: Zr1 Sc1 Fe4
  • Reduced Formula: ZrScFe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m